ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C22H37F3N6 — CID 153328984

IUPACethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC.CCN1CCc2nc(C(C)C)[nH]c2C1.Cc1nc2c([nH]1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C11H19N3.C9H12F3N3.C2H6/c1-4-14-6-5-9-10(7-14)13-11(12-9)8(2)3;1-6-13-7-2-3-15(4-8(7)14-6)5-9(10,11)12;1-2/h8H,4-7H2,1-3H3,(H,12,13);2-5H2,1H3,(H,13,14);1-2H3
InChIKeyNIFVRMVRURIMHG-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.58
Rot. Bonds3

About ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 153328984) has the molecular formula C22H37F3N6 and a molecular weight of 442.57 g/mol. Its IUPAC name is ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID153328984
Molecular FormulaC22H37F3N6
Molecular Weight442.57 g/mol
Exact Mass442.30
IUPAC Nameethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC.CCN1CCc2nc(C(C)C)[nH]c2C1.Cc1nc2c([nH]1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C11H19N3.C9H12F3N3.C2H6/c1-4-14-6-5-9-10(7-14)13-11(12-9)8(2)3;1-6-13-7-2-3-15(4-8(7)14-6)5-9(10,11)12;1-2/h8H,4-7H2,1-3H3,(H,12,13);2-5H2,1H3,(H,13,14);1-2H3
InChIKeyNIFVRMVRURIMHG-UHFFFAOYSA-N
XLogP4.58
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 153328984) is ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CC.CCN1CCc2nc(C(C)C)[nH]c2C1.Cc1nc2c([nH]1)CN(CC(F)(F)F)CC2.
What is the InChIKey of ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is NIFVRMVRURIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C9H12F3N3.C2H6/c1-4-14-6-5-9-10(7-14)13-11(12-9)8(2)3;1-6-13-7-2-3-15(4-8(7)14-6)5-9(10,11)12;1-2/h8H,4-7H2,1-3H3,(H,12,13);2-5H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 442.57 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 153328984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).